N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide

C14H15Cl2N3O2S — CID 89166172

IUPACN-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide
SMILESNc1ccc(N)c(NS(=O)(=O)CCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H15Cl2N3O2S/c15-11-3-1-9(7-12(11)16)5-6-22(20,21)19-14-8-10(17)2-4-13(14)18/h1-4,7-8,19H,5-6,17-18H2
InChIKeyVNHQCIPFFIRCLZ-UHFFFAOYSA-N
MW360.27 g/mol
LogP3.14
Rot. Bonds5

About N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide

N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide (PubChem CID 89166172) has the molecular formula C14H15Cl2N3O2S and a molecular weight of 360.27 g/mol. Its IUPAC name is N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide
PubChem CID89166172
Molecular FormulaC14H15Cl2N3O2S
Molecular Weight360.27 g/mol
Exact Mass359.03
IUPAC NameN-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide
SMILESNc1ccc(N)c(NS(=O)(=O)CCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H15Cl2N3O2S/c15-11-3-1-9(7-12(11)16)5-6-22(20,21)19-14-8-10(17)2-4-13(14)18/h1-4,7-8,19H,5-6,17-18H2
InChIKeyVNHQCIPFFIRCLZ-UHFFFAOYSA-N
XLogP3.14
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.27
LogP ≤ 53.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dichlorophenyl)ethanesulfonamide
CID 112639856
N-(5-amino-2-chlorophenyl)-2-ethoxyethanesulfonamide
CID 55173525
methyl 3-[(5-amino-2-chlorophenyl)sulfamoyl]propanoate
CID 54952491
N-(2-amino-5-methoxyphenyl)-2-pyridin-4-ylethanesulfonamide
CID 63258916
ethyl 2-[(5-amino-2-chlorophenyl)sulfamoyl]acetate
CID 54952001
N-(4-amino-2-methylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 63045442
N-(4-amino-2-chlorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79593923
N-(2-amino-5-chlorophenyl)ethanesulfonamide
CID 16775889
4-(2-aminoethyl)-2-chloroaniline
CID 18621974
3,4-dichloroaniline
CID 7257
N-(5-amino-2-methylphenyl)-2-pyridin-2-ylethanesulfonamide
CID 60864543
3-[(3,4-dichlorophenyl)methylsulfonyl]-4-methylaniline
CID 81190952

Frequently Asked Questions

What is the IUPAC name of N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide?
The IUPAC name of N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide (CID 89166172) is N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide.
What is the SMILES notation for N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide?
The canonical SMILES for N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide is Nc1ccc(N)c(NS(=O)(=O)CCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide?
The InChIKey is VNHQCIPFFIRCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2S/c15-11-3-1-9(7-12(11)16)5-6-22(20,21)19-14-8-10(17)2-4-13(14)18/h1-4,7-8,19H,5-6,17-18H2.
What are the key properties of N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide?
N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide has a molecular weight of 360.27 g/mol, XLogP of 3.14, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diaminophenyl)-2-(3,4-dichlorophenyl)ethanesulfonamide is sourced from PubChem (CID 89166172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).